SCHEMBL3459465

SCHEMBL3459465

OCCN1CCN(Nc2nc(-c3ccncc3)nc3ccccc23)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.51
PDE5A O76074 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
ALDH1A1 P00352 1/20 0.51
POLB P06746 1/20 0.51
HPGD P15428 1/20 0.51
PTGS1 P23219 1/20 0.51
TBXAS1 P24557 1/20 0.51
PTGS2 P35354 1/20 0.51
ABCG2 Q9UNQ0 4/20 0.49
MAPK1 P28482 3/20 0.49
LMNA P02545 2/20 0.49
MAPT P10636 1/20 0.49
ACP1 P24666 2/20 0.48
TSHR P16473 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
GBA1 P04062 1/20 0.48
TGFBR1 P36897 1/20 0.48
MAPK14 Q16539 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3459938 0.82 LMNA (0.62) KDM4EPDE5ASMN1; SMN2ALDH1A1POLB
SCHEMBL3460750 0.76 ACP1 (0.74) KDM4EPDE5AALDH1A1PTGS1TBXAS1
SCHEMBL3459468 0.74 MAPK1 (0.82) KDM4EPDE5ASMN1; SMN2ALDH1A1POLB
SCHEMBL3460217 0.73 MAPK1 (0.61) KDM4EPDE5AALDH1A1PTGS1TBXAS1
SCHEMBL3460634 0.73 CYP1A2 (0.79) ALDH1A1POLBMAPK1LMNAMAPT
SCHEMBL3459768 0.72 PDE5A (0.76) KDM4EPDE5ASMN1; SMN2ALDH1A1POLB
Hydrochloric Acid SCHEMBL11179714 0.72 LMNA (0.69) KDM4ESMN1; SMN2ALDH1A1HPGDABCG2
SCHEMBL3460199 0.69 ACP1 (0.60) KDM4EPDE5ASMN1; SMN2ALDH1A1POLB
SCHEMBL3460213 0.69 ACP1 (0.71) KDM4EPDE5ASMN1; SMN2ALDH1A1POLB
SCHEMBL7606647 0.69 LATS1 (0.79) KDM4EPDE5ASMN1; SMN2ALDH1A1POLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7763627-B2 Tie-2 modulators and methods of use EXELIXIS, INC. (US) 2010-07-27 US claimed
US-20070161651-A1 Tie-2 modulators and methods of use EXELIXIS, INC. (US) 2007-07-12 US claimed
US-7763627-B2 Tie-2 modulators and methods of use EXELIXIS, INC. (US) 2010-07-27 US disclosed
US-7763627-B2 Tie-2 modulators and methods of use EXELIXIS, INC. (US) 2010-07-27 US disclosed
US-7763627-B2 Tie-2 modulators and methods of use EXELIXIS, INC. (US) 2010-07-27 US disclosed
EP-1610774-A4 TIE-2 MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2008-07-16 EP disclosed
US-20070161651-A1 Tie-2 modulators and methods of use EXELIXIS, INC. (US) 2007-07-12 US disclosed
US-20070161651-A1 Tie-2 modulators and methods of use EXELIXIS, INC. (US) 2007-07-12 US disclosed
US-20070161651-A1 Tie-2 modulators and methods of use EXELIXIS, INC. (US) 2007-07-12 US disclosed
EP-1610774-A2 TIE-2 MODULATORS AND METHODS OF USE Exelixis, Inc. (US) 2006-01-04 EP disclosed
WO-2004092196-A2 TIE-2 MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2004-10-28 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070161651-A1 Tie-2 modulators and methods of use TIE1, TEK, KDR KDM4E 486/4885PDE5A 1963/4885SMN1; SMN2 3129/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.